N2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| CL37 | C36 | sing | 1.74Å | 1.78Å | |
| C39 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| O23 | C24 | sing | 1.43Å | 1.38Å | |
| O23 | C22 | sing | 1.36Å | 1.43Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C41 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.55Å | |
| C25 | O42 | sing | 1.43Å | 1.41Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.40Å | |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| O30 | C31 | sing | 1.43Å | 1.40Å | |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | CL35 | sing | 1.74Å | 1.79Å | |
| C22 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.42Å | Aromatic |
| O42 | C21 | sing | 1.36Å | 1.44Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.51Å | 1.51Å | |
| C44 | C19 | doub | 1.38Å | 1.35Å | Aromatic |
| C45 | C07 | sing | 1.53Å | 1.54Å | |
| C61 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C61 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| C60 | C51 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C47 | C48 | sing | 1.51Å | 1.52Å | |
| C47 | C04 | sing | 1.53Å | 1.52Å | |
| C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C59 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| C59 | C52 | sing | 1.40Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.48Å | 1.52Å | |
| C51 | C50 | doub | 1.39Å | 1.38Å | Aromatic |
| C58 | N57 | sing | 1.32Å | 1.32Å | Aromatic |
| C52 | C53 | doub | 1.40Å | 1.38Å | Aromatic |
| N57 | C55 | doub | 1.32Å | 1.32Å | Aromatic |
| C53 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | C54 | sing | 1.51Å | 1.53Å | |
| C55 | C56 | sing | 1.51Å | 1.53Å | |
| N05 | C04 | sing | 1.47Å | 1.45Å | |
| N05 | C06 | sing | 1.35Å | 1.45Å | |
| C07 | C06 | sing | 1.51Å | 1.50Å | |
| C07 | N08 | sing | 1.47Å | 1.52Å | |
| C18 | N08 | sing | 1.47Å | 1.48Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C49 | C50 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | O46 | doub | 1.21Å | 1.18Å | |
| N08 | C09 | sing | 1.47Å | 1.46Å | |
| C02 | O03 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C16 | C09 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.08Å | 1.08Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C49 | H34 | sing | 1.08Å | 1.08Å | |
| C50 | H35 | sing | 1.08Å | 1.08Å | |
| C54 | H36 | sing | 1.09Å | 1.10Å | |
| C54 | H37 | sing | 1.09Å | 1.10Å | |
| C54 | H38 | sing | 1.09Å | 1.10Å | |
| C56 | H39 | sing | 1.09Å | 1.10Å | |
| C56 | H40 | sing | 1.09Å | 1.10Å | |
| C56 | H41 | sing | 1.09Å | 1.10Å | |
| C58 | H42 | sing | 1.08Å | 1.08Å | |
| C59 | H43 | sing | 1.08Å | 1.08Å | |
| C60 | H44 | sing | 1.08Å | 1.08Å | |
| C61 | H45 | sing | 1.08Å | 1.08Å | |
| N05 | H46 | sing | 0.97Å | 1.00Å | |
| O01 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C36 | 120.2° | 120.0° |
| C38 | C39 | C32 | 119.9° | 120.0° |
| C39 | C38 | H25 | 119.9° | 120.0° |
| C38 | C39 | H26 | 120.0° | 120.0° |
| C38 | C36 | CL37 | 119.8° | 120.0° |
| C38 | C36 | C34 | 119.9° | 120.0° |
| C36 | C38 | H25 | 119.9° | 120.0° |
| CL37 | C36 | C34 | 120.3° | 120.0° |
| C39 | C32 | C31 | 120.1° | 120.0° |
| C39 | C32 | C33 | 120.0° | 120.0° |
| C32 | C39 | H26 | 120.0° | 120.0° |
| C36 | C34 | C33 | 119.9° | 120.0° |
| C36 | C34 | CL35 | 120.3° | 120.0° |
| C24 | O23 | C22 | 114.8° | 116.7° |
| O23 | C24 | C25 | 111.6° | 108.2° |
| O23 | C24 | H2 | 108.9° | 109.7° |
| O23 | C24 | H3 | 108.9° | 109.8° |
| O23 | C22 | C43 | 120.2° | 119.6° |
| O23 | C22 | C21 | 121.0° | 120.8° |
| C24 | C25 | C26 | 112.4° | 109.7° |
| C24 | C25 | O42 | 110.9° | 108.2° |
| C24 | C25 | H1 | 108.7° | 109.8° |
| C25 | C24 | H2 | 109.0° | 109.7° |
| C25 | C24 | H3 | 108.9° | 109.7° |
| C40 | C41 | C26 | 120.2° | 120.1° |
| C41 | C40 | C29 | 119.4° | 119.9° |
| C41 | C40 | H27 | 120.3° | 120.0° |
| C40 | C41 | H28 | 119.9° | 119.9° |
| C41 | C26 | C25 | 119.2° | 120.0° |
| C41 | C26 | C27 | 120.4° | 120.1° |
| C26 | C41 | H28 | 119.9° | 120.0° |
| C40 | C29 | O30 | 119.4° | 120.0° |
| C40 | C29 | C28 | 120.5° | 119.9° |
| C29 | C40 | H27 | 120.3° | 120.1° |
| C26 | C25 | O42 | 106.2° | 109.7° |
| C25 | C26 | C27 | 120.4° | 119.9° |
| C26 | C25 | H1 | 108.4° | 109.7° |
| C25 | O42 | C21 | 111.9° | 116.7° |
| O42 | C25 | H1 | 110.2° | 109.7° |
| C26 | C27 | C28 | 119.4° | 120.1° |
| C26 | C27 | H20 | 120.3° | 120.0° |
| O30 | C29 | C28 | 120.1° | 120.0° |
| C29 | O30 | C31 | 112.3° | 117.0° |
| C29 | C28 | C27 | 120.2° | 119.9° |
| C29 | C28 | H21 | 119.9° | 120.1° |
| O30 | C31 | C32 | 108.4° | 109.5° |
| O30 | C31 | H22 | 109.8° | 109.4° |
| O30 | C31 | H23 | 109.8° | 109.5° |
| C31 | C32 | C33 | 119.9° | 120.0° |
| C32 | C31 | H22 | 109.7° | 109.5° |
| C32 | C31 | H23 | 109.7° | 109.5° |
| C32 | C33 | C34 | 120.1° | 120.0° |
| C32 | C33 | H24 | 119.9° | 120.0° |
| C28 | C27 | H20 | 120.3° | 119.9° |
| C27 | C28 | H21 | 119.9° | 120.0° |
| C33 | C34 | CL35 | 119.8° | 120.0° |
| C34 | C33 | H24 | 120.0° | 120.0° |
| C43 | C22 | C21 | 118.8° | 119.6° |
| C22 | C43 | C44 | 119.2° | 120.4° |
| C22 | C43 | H29 | 120.4° | 119.8° |
| C22 | C21 | O42 | 121.2° | 120.8° |
| C22 | C21 | C20 | 121.6° | 119.7° |
| C43 | C44 | C45 | 117.1° | 118.4° |
| C43 | C44 | C19 | 121.4° | 120.0° |
| C44 | C43 | H29 | 120.4° | 119.8° |
| O42 | C21 | C20 | 117.2° | 119.5° |
| C21 | C20 | C19 | 119.0° | 120.5° |
| C21 | C20 | H4 | 120.5° | 119.8° |
| C45 | C44 | C19 | 121.5° | 121.6° |
| C44 | C45 | C07 | 115.0° | 110.0° |
| C44 | C45 | H30 | 108.1° | 109.4° |
| C44 | C45 | H31 | 108.1° | 109.4° |
| C44 | C19 | C20 | 119.8° | 119.8° |
| C44 | C19 | C18 | 120.0° | 121.9° |
| C45 | C07 | C06 | 106.5° | 109.6° |
| C45 | C07 | N08 | 116.6° | 108.5° |
| C45 | C07 | H14 | 108.4° | 109.9° |
| C07 | C45 | H30 | 108.1° | 109.4° |
| C07 | C45 | H31 | 108.1° | 109.4° |
| C60 | C61 | C48 | 119.7° | 120.1° |
| C61 | C60 | C51 | 119.7° | 119.8° |
| C61 | C60 | H44 | 120.2° | 120.1° |
| C60 | C61 | H45 | 120.2° | 119.9° |
| C61 | C48 | C47 | 120.2° | 119.9° |
| C61 | C48 | C49 | 120.3° | 120.3° |
| C48 | C61 | H45 | 120.1° | 120.0° |
| C60 | C51 | C52 | 120.6° | 120.1° |
| C60 | C51 | C50 | 120.4° | 119.7° |
| C51 | C60 | H44 | 120.1° | 120.0° |
| C20 | C19 | C18 | 120.1° | 118.3° |
| C19 | C20 | H4 | 120.5° | 119.8° |
| C19 | C18 | N08 | 112.5° | 110.5° |
| C19 | C18 | H18 | 108.7° | 109.3° |
| C19 | C18 | H19 | 108.7° | 109.3° |
| C48 | C47 | C04 | 111.6° | 109.5° |
| C47 | C48 | C49 | 119.4° | 119.8° |
| C48 | C47 | H32 | 108.9° | 109.5° |
| C48 | C47 | H33 | 109.0° | 109.4° |
| C47 | C04 | N05 | 107.9° | 109.4° |
| C47 | C04 | C02 | 109.6° | 109.5° |
| C47 | C04 | H13 | 109.3° | 109.5° |
| C04 | C47 | H32 | 109.0° | 109.5° |
| C04 | C47 | H33 | 108.9° | 109.5° |
| C48 | C49 | C50 | 119.9° | 120.1° |
| C48 | C49 | H34 | 120.1° | 119.9° |
| C58 | C59 | C52 | 118.2° | 119.0° |
| C59 | C58 | N57 | 121.0° | 120.9° |
| C59 | C58 | H42 | 119.5° | 119.6° |
| C58 | C59 | H43 | 120.9° | 120.5° |
| C59 | C52 | C51 | 119.7° | 120.9° |
| C59 | C52 | C53 | 119.9° | 118.2° |
| C52 | C59 | H43 | 120.9° | 120.4° |
| C52 | C51 | C50 | 119.0° | 120.1° |
| C51 | C52 | C53 | 120.4° | 120.9° |
| C51 | C50 | C49 | 120.0° | 119.9° |
| C51 | C50 | H35 | 120.0° | 120.0° |
| C58 | N57 | C55 | 121.6° | 122.0° |
| N57 | C58 | H42 | 119.5° | 119.5° |
| C52 | C53 | C55 | 117.9° | 119.0° |
| C52 | C53 | C54 | 120.8° | 120.5° |
| N57 | C55 | C53 | 121.4° | 120.9° |
| N57 | C55 | C56 | 119.2° | 119.6° |
| C55 | C53 | C54 | 121.3° | 120.5° |
| C53 | C55 | C56 | 119.4° | 119.6° |
| C53 | C54 | H36 | 109.5° | 109.5° |
| C53 | C54 | H37 | 109.5° | 109.5° |
| C53 | C54 | H38 | 109.5° | 109.4° |
| C55 | C56 | H39 | 109.5° | 109.4° |
| C55 | C56 | H40 | 109.5° | 109.4° |
| C55 | C56 | H41 | 109.5° | 109.5° |
| C04 | N05 | C06 | 120.5° | 120.0° |
| N05 | C04 | C02 | 110.5° | 109.5° |
| N05 | C04 | H13 | 110.3° | 109.5° |
| C04 | N05 | H46 | 119.8° | 120.1° |
| N05 | C06 | C07 | 118.9° | 120.0° |
| N05 | C06 | O46 | 120.7° | 120.0° |
| C06 | N05 | H46 | 119.8° | 120.0° |
| C06 | C07 | N08 | 107.5° | 109.6° |
| C07 | C06 | O46 | 120.4° | 120.0° |
| C06 | C07 | H14 | 109.0° | 109.6° |
| C07 | N08 | C18 | 115.3° | 110.2° |
| C07 | N08 | C09 | 110.5° | 111.0° |
| N08 | C07 | H14 | 108.6° | 109.6° |
| C18 | N08 | C09 | 108.4° | 111.1° |
| N08 | C18 | H18 | 108.7° | 109.2° |
| N08 | C18 | H19 | 108.7° | 109.2° |
| C04 | C02 | O03 | 119.9° | 120.0° |
| C04 | C02 | O01 | 120.4° | 120.0° |
| C02 | C04 | H13 | 109.2° | 109.5° |
| C50 | C49 | H34 | 120.0° | 120.0° |
| C49 | C50 | H35 | 120.0° | 120.1° |
| N08 | C09 | C16 | 111.0° | 109.4° |
| N08 | C09 | C10 | 108.8° | 109.5° |
| N08 | C09 | H15 | 109.7° | 109.5° |
| O03 | C02 | O01 | 119.7° | 120.0° |
| C02 | O01 | H48 | 109.5° | 117.1° |
| C09 | C16 | C17 | 112.9° | 109.5° |
| C16 | C09 | C10 | 109.7° | 109.5° |
| C09 | C16 | H10 | 108.6° | 109.5° |
| C09 | C16 | H11 | 108.6° | 109.4° |
| C16 | C09 | H15 | 108.8° | 109.4° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.5° |
| C16 | C17 | H9 | 109.5° | 109.4° |
| C17 | C16 | H10 | 108.6° | 109.5° |
| C17 | C16 | H11 | 108.6° | 109.5° |
| C09 | C10 | C15 | 119.7° | 120.0° |
| C09 | C10 | C11 | 120.1° | 120.0° |
| C10 | C09 | H15 | 108.8° | 109.5° |
| C15 | C10 | C11 | 120.2° | 120.0° |
| C10 | C15 | C14 | 119.7° | 120.0° |
| C10 | C15 | H12 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H16 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.0° |
| C14 | C15 | H12 | 120.1° | 120.0° |
| C15 | C14 | H17 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H5 | 120.2° | 120.0° |
| C12 | C11 | H16 | 119.9° | 120.0° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C14 | C13 | H6 | 119.8° | 120.0° |
| C13 | C14 | H17 | 120.0° | 120.0° |
| C13 | C12 | H5 | 120.2° | 120.0° |
| C12 | C13 | H6 | 119.9° | 120.0° |
| H2 | C24 | H3 | 109.5° | 109.7° |
| H7 | C17 | H8 | 109.4° | 109.5° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.2° |
| H22 | C31 | H23 | 109.5° | 109.4° |
| H30 | C45 | H31 | 109.5° | 109.3° |
| H32 | C47 | H33 | 109.4° | 109.4° |
| H36 | C54 | H37 | 109.5° | 109.5° |
| H36 | C54 | H38 | 109.5° | 109.5° |
| H37 | C54 | H38 | 109.5° | 109.4° |
| H39 | C56 | H40 | 109.4° | 109.5° |
| H39 | C56 | H41 | 109.5° | 109.5° |
| H40 | C56 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C36 | H25 | 180.0° | 179.6° |
| C39 | C38 | C36 | CL37 | 179.8° | 179.8° |
| C38 | C39 | C32 | H26 | 180.0° | 179.6° |
| C39 | C38 | C36 | C34 | 0.4° | 0.1° |
| C38 | C39 | C32 | C31 | 179.9° | 179.8° |
| C38 | C39 | C32 | C33 | 0.2° | 0.4° |
| C38 | C36 | CL37 | C34 | 179.9° | 179.9° |
| C36 | C38 | C39 | C32 | 0.2° | 0.4° |
| C38 | C36 | C34 | C33 | 0.1° | 0.0° |
| C38 | C36 | C34 | CL35 | 179.9° | 180.0° |
| C36 | C38 | C39 | H26 | 179.8° | 180.0° |
| CL37 | C36 | C34 | C33 | 179.9° | 180.0° |
| CL37 | C36 | C34 | CL35 | 0.0° | 0.0° |
| CL37 | C36 | C38 | H25 | 0.2° | 0.2° |
| C39 | C32 | C31 | O30 | 28.1° | 90.2° |
| C39 | C32 | C31 | C33 | 179.7° | 179.7° |
| C39 | C32 | C33 | C34 | 0.4° | 0.3° |
| C39 | C32 | C31 | H22 | 91.8° | 29.7° |
| C39 | C32 | C31 | H23 | 147.9° | 149.7° |
| C39 | C32 | C33 | H24 | 179.5° | 179.8° |
| C32 | C39 | C38 | H25 | 179.8° | 180.0° |
| C36 | C34 | C33 | C32 | 0.3° | 0.0° |
| C36 | C34 | C33 | CL35 | 180.0° | 180.0° |
| C36 | C34 | C33 | H24 | 179.7° | 180.0° |
| C34 | C36 | C38 | H25 | 179.7° | 179.8° |
| O23 | C24 | C25 | H2 | 120.3° | 119.7° |
| O23 | C24 | C25 | H3 | 120.3° | 119.8° |
| O23 | C24 | C25 | C26 | 178.6° | 179.4° |
| O23 | C24 | C25 | O42 | 62.7° | 59.8° |
| C24 | O23 | C22 | C43 | 168.3° | 162.8° |
| C24 | O23 | C22 | C21 | 11.7° | 17.4° |
| O23 | C24 | C25 | H1 | 58.6° | 60.0° |
| O23 | C24 | H2 | H3 | 119.0° | 120.7° |
| C22 | O23 | C24 | C25 | 41.3° | 46.3° |
| O23 | C22 | C43 | C21 | 180.0° | 179.8° |
| O23 | C22 | C43 | C44 | 179.9° | 179.7° |
| O23 | C22 | C21 | O42 | 0.3° | 0.7° |
| O23 | C22 | C21 | C20 | 179.9° | 179.5° |
| C22 | O23 | C24 | H2 | 79.0° | 165.9° |
| C22 | O23 | C24 | H3 | 161.6° | 73.5° |
| O23 | C22 | C43 | H29 | 0.1° | 0.3° |
| C24 | C25 | C26 | C41 | 139.6° | 79.0° |
| C24 | C25 | C26 | O42 | 121.4° | 118.8° |
| C24 | C25 | C26 | H1 | 120.2° | 120.7° |
| C24 | C25 | O42 | H1 | 120.5° | 119.8° |
| C24 | C25 | C26 | C27 | 42.0° | 101.2° |
| C24 | C25 | O42 | C21 | 49.4° | 46.3° |
| C25 | C24 | H2 | H3 | 119.0° | 120.6° |
| C40 | C41 | C26 | H28 | 180.0° | 179.5° |
| C41 | C40 | C29 | H27 | 180.0° | 179.7° |
| C40 | C41 | C26 | C25 | 179.4° | 179.7° |
| C40 | C41 | C26 | C27 | 0.9° | 0.5° |
| C41 | C40 | C29 | O30 | 179.8° | 179.7° |
| C41 | C40 | C29 | C28 | 0.2° | 0.2° |
| C26 | C41 | C40 | C29 | 0.3° | 0.5° |
| C41 | C26 | C25 | C27 | 178.4° | 179.7° |
| C41 | C26 | C25 | O42 | 99.0° | 39.7° |
| C41 | C26 | C27 | C28 | 0.9° | 0.3° |
| C41 | C26 | C25 | H1 | 19.4° | 160.3° |
| C41 | C26 | C27 | H20 | 179.1° | 179.8° |
| C26 | C41 | C40 | H27 | 179.7° | 179.7° |
| C40 | C29 | O30 | C28 | 179.6° | 180.0° |
| C40 | C29 | O30 | C31 | 71.3° | 0.0° |
| C40 | C29 | C28 | C27 | 0.2° | 0.0° |
| C40 | C29 | C28 | H21 | 179.8° | 180.0° |
| C29 | C40 | C41 | H28 | 179.7° | 180.0° |
| C26 | C25 | O42 | H1 | 117.2° | 120.6° |
| C25 | C26 | C27 | C28 | 179.4° | 180.0° |
| C26 | C25 | O42 | C21 | 171.8° | 166.0° |
| C26 | C25 | C24 | H2 | 61.1° | 60.9° |
| C26 | C25 | C24 | H3 | 58.3° | 59.6° |
| C25 | C26 | C27 | H20 | 0.7° | 0.0° |
| C25 | C26 | C41 | H28 | 0.6° | 0.2° |
| O42 | C25 | C26 | C27 | 79.4° | 140.0° |
| C25 | O42 | C21 | C22 | 20.2° | 17.5° |
| C25 | O42 | C21 | C20 | 159.5° | 162.7° |
| O42 | C25 | C24 | H2 | 57.6° | 179.4° |
| O42 | C25 | C24 | H3 | 177.0° | 60.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C26 | C27 | C28 | H20 | 180.0° | 179.9° |
| C27 | C26 | C25 | H1 | 162.2° | 19.4° |
| C26 | C27 | C28 | H21 | 179.6° | 179.9° |
| C27 | C26 | C41 | H28 | 179.1° | 180.0° |
| C29 | O30 | C31 | C32 | 134.7° | 180.0° |
| O30 | C29 | C28 | C27 | 179.8° | 180.0° |
| O30 | C29 | C28 | H21 | 0.2° | 0.1° |
| C29 | O30 | C31 | H22 | 14.9° | 60.0° |
| C29 | O30 | C31 | H23 | 105.5° | 60.0° |
| O30 | C29 | C40 | H27 | 0.2° | 0.0° |
| C28 | C29 | O30 | C31 | 108.3° | 180.0° |
| C29 | C28 | C27 | H21 | 180.0° | 179.9° |
| C29 | C28 | C27 | H20 | 179.6° | 179.9° |
| C28 | C29 | C40 | H27 | 179.8° | 180.0° |
| O30 | C31 | C32 | H22 | 119.8° | 120.0° |
| O30 | C31 | C32 | H23 | 119.8° | 120.0° |
| O30 | C31 | C32 | C33 | 151.7° | 90.0° |
| O30 | C31 | H22 | H23 | 120.5° | 120.0° |
| C31 | C32 | C33 | C34 | 179.8° | 180.0° |
| C32 | C31 | H22 | H23 | 120.5° | 120.0° |
| C31 | C32 | C33 | H24 | 0.2° | 0.1° |
| C31 | C32 | C39 | H26 | 0.1° | 0.2° |
| C32 | C33 | C34 | H24 | 180.0° | 179.9° |
| C32 | C33 | C34 | CL35 | 179.7° | 180.0° |
| C33 | C32 | C31 | H22 | 88.5° | 150.0° |
| C33 | C32 | C31 | H23 | 31.8° | 30.0° |
| C33 | C32 | C39 | H26 | 179.8° | 180.0° |
| CL35 | C34 | C33 | H24 | 0.3° | 0.1° |
| C22 | C43 | C44 | H29 | 180.0° | 180.0° |
| C43 | C22 | C21 | O42 | 179.7° | 179.6° |
| C43 | C22 | C21 | C20 | 0.1° | 0.2° |
| C22 | C43 | C44 | C45 | 179.7° | 179.8° |
| C22 | C43 | C44 | C19 | 0.2° | 0.1° |
| C21 | C22 | C43 | C44 | 0.1° | 0.1° |
| C22 | C21 | O42 | C20 | 179.7° | 179.8° |
| C22 | C21 | C20 | C19 | 0.2° | 0.2° |
| C22 | C21 | C20 | H4 | 179.8° | 179.9° |
| C21 | C22 | C43 | H29 | 179.9° | 179.9° |
| C43 | C44 | C45 | C19 | 179.6° | 179.9° |
| C43 | C44 | C45 | C07 | 155.0° | 163.2° |
| C43 | C44 | C19 | C20 | 0.0° | 0.2° |
| C43 | C44 | C19 | C18 | 179.8° | 179.7° |
| C43 | C44 | C45 | H30 | 84.2° | 76.7° |
| C43 | C44 | C45 | H31 | 34.2° | 43.1° |
| O42 | C21 | C20 | C19 | 179.9° | 179.7° |
| C21 | O42 | C25 | H1 | 71.1° | 73.5° |
| O42 | C21 | C20 | H4 | 0.1° | 0.2° |
| C21 | C20 | C19 | C44 | 0.1° | 0.0° |
| C21 | C20 | C19 | H4 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 180.0° | 179.8° |
| C44 | C45 | C07 | H30 | 120.8° | 120.2° |
| C44 | C45 | C07 | H31 | 120.8° | 120.1° |
| C45 | C44 | C19 | C20 | 179.6° | 179.7° |
| C45 | C44 | C19 | C18 | 0.3° | 0.5° |
| C44 | C45 | C07 | C06 | 107.1° | 170.1° |
| C44 | C45 | C07 | N08 | 12.8° | 50.4° |
| C44 | C45 | C07 | H14 | 135.7° | 69.4° |
| C45 | C44 | C43 | H29 | 0.3° | 0.2° |
| C44 | C45 | H30 | H31 | 117.5° | 119.8° |
| C19 | C44 | C45 | C07 | 25.5° | 16.9° |
| C44 | C19 | C20 | C18 | 179.9° | 179.8° |
| C44 | C19 | C18 | N08 | 36.9° | 17.6° |
| C44 | C19 | C20 | H4 | 179.9° | 179.9° |
| C44 | C19 | C18 | H18 | 157.3° | 137.8° |
| C44 | C19 | C18 | H19 | 83.6° | 102.7° |
| C19 | C44 | C43 | H29 | 179.8° | 179.9° |
| C19 | C44 | C45 | H30 | 95.4° | 103.2° |
| C19 | C44 | C45 | H31 | 146.2° | 137.1° |
| C45 | C07 | C06 | N05 | 27.1° | 56.5° |
| C45 | C07 | C06 | N08 | 125.7° | 119.0° |
| C45 | C07 | C06 | H14 | 116.7° | 120.7° |
| C45 | C07 | N08 | H14 | 122.7° | 120.0° |
| C45 | C07 | N08 | C18 | 22.9° | 71.3° |
| C45 | C07 | C06 | O46 | 152.9° | 123.6° |
| C45 | C07 | N08 | C09 | 146.3° | 165.3° |
| C07 | C45 | H30 | H31 | 117.5° | 119.7° |
| C60 | C61 | C48 | H45 | 180.0° | 179.6° |
| C61 | C60 | C51 | H44 | 180.0° | 179.8° |
| C60 | C61 | C48 | C47 | 179.9° | 179.8° |
| C60 | C61 | C48 | C49 | 0.1° | 0.4° |
| C61 | C60 | C51 | C52 | 179.9° | 179.8° |
| C61 | C60 | C51 | C50 | 0.2° | 0.2° |
| C48 | C61 | C60 | C51 | 0.1° | 0.4° |
| C61 | C48 | C47 | C49 | 179.7° | 179.8° |
| C61 | C48 | C47 | C04 | 89.5° | 90.2° |
| C61 | C48 | C49 | C50 | 0.3° | 0.2° |
| C61 | C48 | C47 | H32 | 30.8° | 149.7° |
| C61 | C48 | C47 | H33 | 150.2° | 29.8° |
| C61 | C48 | C49 | H34 | 179.7° | 179.8° |
| C48 | C61 | C60 | H44 | 179.9° | 179.8° |
| C60 | C51 | C52 | C59 | 126.5° | 129.8° |
| C60 | C51 | C52 | C50 | 179.9° | 179.9° |
| C60 | C51 | C52 | C53 | 53.7° | 50.0° |
| C60 | C51 | C50 | C49 | 0.4° | 0.0° |
| C60 | C51 | C50 | H35 | 179.6° | 180.0° |
| C51 | C60 | C61 | H45 | 179.9° | 180.0° |
| C20 | C19 | C18 | N08 | 143.3° | 162.6° |
| C20 | C19 | C18 | H18 | 22.8° | 42.3° |
| C20 | C19 | C18 | H19 | 96.3° | 77.2° |
| C19 | C18 | N08 | C07 | 47.3° | 52.5° |
| C19 | C18 | N08 | H18 | 120.4° | 120.3° |
| C19 | C18 | N08 | H19 | 120.5° | 120.3° |
| C19 | C18 | N08 | C09 | 171.7° | 175.9° |
| C18 | C19 | C20 | H4 | 0.0° | 0.3° |
| C19 | C18 | H18 | H19 | 118.6° | 119.5° |
| C48 | C47 | C04 | H32 | 120.3° | 120.1° |
| C48 | C47 | C04 | H33 | 120.3° | 120.0° |
| C48 | C47 | C04 | N05 | 60.3° | 65.0° |
| C48 | C47 | C04 | C02 | 60.1° | 175.0° |
| C47 | C48 | C49 | C50 | 180.0° | 180.0° |
| C48 | C47 | C04 | H13 | 179.7° | 55.0° |
| C48 | C47 | H32 | H33 | 119.0° | 119.9° |
| C47 | C48 | C49 | H34 | 0.0° | 0.0° |
| C47 | C48 | C61 | H45 | 0.1° | 0.2° |
| C04 | C47 | C48 | C49 | 90.8° | 90.0° |
| C47 | C04 | N05 | C02 | 119.8° | 120.0° |
| C47 | C04 | N05 | H13 | 119.4° | 120.0° |
| C47 | C04 | N05 | C06 | 171.3° | 155.0° |
| C47 | C04 | C02 | H13 | 119.7° | 120.0° |
| C47 | C04 | C02 | O03 | 25.9° | 120.0° |
| C47 | C04 | C02 | O01 | 154.5° | 60.1° |
| C04 | C47 | H32 | H33 | 119.0° | 120.0° |
| C47 | C04 | N05 | H46 | 8.7° | 25.0° |
| C48 | C49 | C50 | C51 | 0.4° | 0.0° |
| C48 | C49 | C50 | H34 | 180.0° | 180.0° |
| C49 | C48 | C47 | H32 | 148.9° | 30.1° |
| C49 | C48 | C47 | H33 | 29.5° | 150.0° |
| C48 | C49 | C50 | H35 | 179.6° | 180.0° |
| C49 | C48 | C61 | H45 | 179.8° | 180.0° |
| C58 | C59 | C52 | H43 | 180.0° | 179.9° |
| C58 | C59 | C52 | C51 | 180.0° | 180.0° |
| C59 | C58 | N57 | H42 | 180.0° | 179.6° |
| C58 | C59 | C52 | C53 | 0.2° | 0.2° |
| C59 | C58 | N57 | C55 | 0.1° | 0.4° |
| C59 | C52 | C51 | C53 | 179.7° | 179.8° |
| C59 | C52 | C51 | C50 | 53.6° | 50.3° |
| C52 | C59 | C58 | N57 | 0.2° | 0.1° |
| C59 | C52 | C53 | C55 | 0.2° | 0.3° |
| C59 | C52 | C53 | C54 | 179.9° | 179.7° |
| C52 | C59 | C58 | H42 | 179.8° | 179.7° |
| C51 | C52 | C53 | C55 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.2° | 0.0° |
| C52 | C51 | C50 | C49 | 179.7° | 180.0° |
| C52 | C51 | C50 | H35 | 0.3° | 0.1° |
| C51 | C52 | C59 | H43 | 0.0° | 0.1° |
| C52 | C51 | C60 | H44 | 0.2° | 0.0° |
| C50 | C51 | C52 | C53 | 126.2° | 130.0° |
| C51 | C50 | C49 | H35 | 180.0° | 179.9° |
| C51 | C50 | C49 | H34 | 179.6° | 179.9° |
| C50 | C51 | C60 | H44 | 179.7° | 180.0° |
| C58 | N57 | C55 | C53 | 0.1° | 0.3° |
| C58 | N57 | C55 | C56 | 180.0° | 179.7° |
| N57 | C58 | C59 | H43 | 179.8° | 180.0° |
| C52 | C53 | C55 | N57 | 0.1° | 0.0° |
| C52 | C53 | C55 | C54 | 179.8° | 180.0° |
| C52 | C53 | C55 | C56 | 179.9° | 180.0° |
| C52 | C53 | C54 | H36 | 90.1° | 90.0° |
| C52 | C53 | C54 | H37 | 149.9° | 149.9° |
| C52 | C53 | C54 | H38 | 29.9° | 30.0° |
| C53 | C52 | C59 | H43 | 179.8° | 179.7° |
| N57 | C55 | C53 | C56 | 179.9° | 180.0° |
| N57 | C55 | C53 | C54 | 180.0° | 180.0° |
| N57 | C55 | C56 | H39 | 0.0° | 90.0° |
| N57 | C55 | C56 | H40 | 120.0° | 30.0° |
| N57 | C55 | C56 | H41 | 120.0° | 150.0° |
| C55 | N57 | C58 | H42 | 179.9° | 180.0° |
| C55 | C53 | C54 | H36 | 90.1° | 90.0° |
| C55 | C53 | C54 | H37 | 29.9° | 30.0° |
| C55 | C53 | C54 | H38 | 149.9° | 150.0° |
| C53 | C55 | C56 | H39 | 179.9° | 90.0° |
| C53 | C55 | C56 | H40 | 60.1° | 150.1° |
| C53 | C55 | C56 | H41 | 59.9° | 30.0° |
| C54 | C53 | C55 | C56 | 0.1° | 0.0° |
| C53 | C54 | H36 | H37 | 120.0° | 120.1° |
| C53 | C54 | H36 | H38 | 120.0° | 120.0° |
| C53 | C54 | H37 | H38 | 120.0° | 120.0° |
| C55 | C56 | H39 | H40 | 120.0° | 119.9° |
| C55 | C56 | H39 | H41 | 120.0° | 120.0° |
| C55 | C56 | H40 | H41 | 120.0° | 120.0° |
| C04 | N05 | C06 | H46 | 180.0° | 180.0° |
| C04 | N05 | C06 | C07 | 179.8° | 180.0° |
| N05 | C04 | C02 | H13 | 121.5° | 120.0° |
| C04 | N05 | C06 | O46 | 0.3° | 0.0° |
| N05 | C04 | C02 | O03 | 144.7° | 0.0° |
| N05 | C04 | C02 | O01 | 35.8° | 180.0° |
| N05 | C04 | C47 | H32 | 60.1° | 55.0° |
| N05 | C04 | C47 | H33 | 179.4° | 175.0° |
| N05 | C06 | C07 | O46 | 180.0° | 180.0° |
| N05 | C06 | C07 | N08 | 98.6° | 175.5° |
| C06 | N05 | C04 | C02 | 68.9° | 85.0° |
| C06 | N05 | C04 | H13 | 52.0° | 35.0° |
| N05 | C06 | C07 | H14 | 143.8° | 64.2° |
| C06 | C07 | N08 | H14 | 117.8° | 120.3° |
| C06 | C07 | N08 | C18 | 142.4° | 169.0° |
| C06 | C07 | N08 | C09 | 94.2° | 45.6° |
| C06 | C07 | C45 | H30 | 132.1° | 49.9° |
| C06 | C07 | C45 | H31 | 13.7° | 69.7° |
| C07 | C06 | N05 | H46 | 0.3° | 0.0° |
| C07 | N08 | C18 | C09 | 124.4° | 123.4° |
| N08 | C07 | C06 | O46 | 81.4° | 4.5° |
| C07 | N08 | C09 | C16 | 14.1° | 154.6° |
| C07 | N08 | C09 | C10 | 135.0° | 34.6° |
| C07 | N08 | C09 | H15 | 106.1° | 85.4° |
| C07 | N08 | C18 | H18 | 167.7° | 172.8° |
| C07 | N08 | C18 | H19 | 73.2° | 67.7° |
| N08 | C07 | C45 | H30 | 108.0° | 69.8° |
| N08 | C07 | C45 | H31 | 133.6° | 170.5° |
| C18 | N08 | C09 | C16 | 141.4° | 31.7° |
| C18 | N08 | C09 | C10 | 97.8° | 88.3° |
| C18 | N08 | C07 | H14 | 99.8° | 48.7° |
| C18 | N08 | C09 | H15 | 21.1° | 151.6° |
| N08 | C18 | H18 | H19 | 118.7° | 119.4° |
| C04 | C02 | O03 | O01 | 179.6° | 180.0° |
| C02 | C04 | C47 | H32 | 179.6° | 64.9° |
| C02 | C04 | C47 | H33 | 60.3° | 55.0° |
| C02 | C04 | N05 | H46 | 111.1° | 95.0° |
| C04 | C02 | O01 | H48 | 179.5° | 179.9° |
| O46 | C06 | C07 | H14 | 36.2° | 115.8° |
| O46 | C06 | N05 | H46 | 179.7° | 180.0° |
| N08 | C09 | C16 | C10 | 120.3° | 120.0° |
| N08 | C09 | C16 | H15 | 120.8° | 119.9° |
| N08 | C09 | C16 | C17 | 134.8° | 66.7° |
| N08 | C09 | C10 | H15 | 119.5° | 120.0° |
| N08 | C09 | C10 | C15 | 56.2° | 133.8° |
| N08 | C09 | C10 | C11 | 123.6° | 46.0° |
| N08 | C09 | C16 | H10 | 104.7° | 173.2° |
| N08 | C09 | C16 | H11 | 14.3° | 53.3° |
| C09 | N08 | C07 | H14 | 23.6° | 74.7° |
| C09 | N08 | C18 | H18 | 67.9° | 63.8° |
| C09 | N08 | C18 | H19 | 51.2° | 55.7° |
| O03 | C02 | C04 | H13 | 93.8° | 120.0° |
| O03 | C02 | O01 | H48 | 0.0° | 0.1° |
| O01 | C02 | C04 | H13 | 85.7° | 60.0° |
| C09 | C16 | C17 | H10 | 120.5° | 120.1° |
| C09 | C16 | C17 | H11 | 120.5° | 120.0° |
| C16 | C09 | C10 | H15 | 118.9° | 120.0° |
| C16 | C09 | C10 | C15 | 65.4° | 106.3° |
| C16 | C09 | C10 | C11 | 114.7° | 74.0° |
| C09 | C16 | C17 | H7 | 180.0° | 64.2° |
| C09 | C16 | C17 | H8 | 60.0° | 175.8° |
| C09 | C16 | C17 | H9 | 60.0° | 55.8° |
| C09 | C16 | H10 | H11 | 118.4° | 119.9° |
| C17 | C16 | C09 | C10 | 14.5° | 173.3° |
| C16 | C17 | H7 | H8 | 120.0° | 120.1° |
| C16 | C17 | H7 | H9 | 120.0° | 119.9° |
| C16 | C17 | H8 | H9 | 120.0° | 119.9° |
| C17 | C16 | H10 | H11 | 118.4° | 120.0° |
| C17 | C16 | C09 | H15 | 104.5° | 53.2° |
| C09 | C10 | C15 | C11 | 179.8° | 179.7° |
| C09 | C10 | C15 | C14 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 179.9° | 179.7° |
| C10 | C09 | C16 | H10 | 135.0° | 53.2° |
| C10 | C09 | C16 | H11 | 106.0° | 66.7° |
| C09 | C10 | C15 | H12 | 0.0° | 0.2° |
| C09 | C10 | C11 | H16 | 0.1° | 0.3° |
| C10 | C15 | C14 | H12 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.1° |
| C15 | C10 | C09 | H15 | 175.7° | 13.7° |
| C15 | C10 | C11 | H16 | 179.7° | 180.0° |
| C10 | C15 | C14 | H17 | 179.9° | 179.9° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C10 | C11 | C12 | H5 | 179.7° | 179.9° |
| C11 | C10 | C15 | H12 | 179.9° | 180.0° |
| C11 | C10 | C09 | H15 | 4.2° | 166.0° |
| C15 | C14 | C13 | H17 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.2° | 0.2° |
| C15 | C14 | C13 | H6 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.2° |
| C11 | C12 | C13 | H5 | 180.0° | 179.8° |
| C11 | C12 | C13 | H6 | 179.7° | 179.9° |
| C14 | C13 | C12 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | H5 | 179.7° | 180.0° |
| C13 | C14 | C15 | H12 | 179.9° | 180.0° |
| C13 | C12 | C11 | H16 | 179.6° | 179.9° |
| C12 | C13 | C14 | H17 | 179.8° | 180.0° |
| H1 | C25 | C24 | H2 | 178.9° | 59.7° |
| H1 | C25 | C24 | H3 | 61.7° | 179.7° |
| H5 | C12 | C13 | H6 | 0.3° | 0.1° |
| H5 | C12 | C11 | H16 | 0.4° | 0.1° |
| H6 | C13 | C14 | H17 | 0.2° | 0.1° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H7 | C17 | C16 | H10 | 59.5° | 175.8° |
| H7 | C17 | C16 | H11 | 59.5° | 55.8° |
| H8 | C17 | C16 | H10 | 179.5° | 55.7° |
| H8 | C17 | C16 | H11 | 60.5° | 64.3° |
| H9 | C17 | C16 | H10 | 60.5° | 64.3° |
| H9 | C17 | C16 | H11 | 179.5° | 175.8° |
| H10 | C16 | C09 | H15 | 16.1° | 66.8° |
| H11 | C16 | C09 | H15 | 135.1° | 173.2° |
| H12 | C15 | C14 | H17 | 0.1° | 0.2° |
| H13 | C04 | C47 | H32 | 59.9° | 175.0° |
| H13 | C04 | C47 | H33 | 59.4° | 65.0° |
| H13 | C04 | N05 | H46 | 128.1° | 145.0° |
| H14 | C07 | C45 | H30 | 14.9° | 170.4° |
| H14 | C07 | C45 | H31 | 103.5° | 50.8° |
| H20 | C27 | C28 | H21 | 0.4° | 0.0° |
| H25 | C38 | C39 | H26 | 0.2° | 0.4° |
| H27 | C40 | C41 | H28 | 0.3° | 0.3° |
| H34 | C49 | C50 | H35 | 0.4° | 0.0° |
| H36 | C54 | H37 | H38 | 120.0° | 120.0° |
| H39 | C56 | H40 | H41 | 120.0° | 120.1° |
| H42 | C58 | C59 | H43 | 0.1° | 0.4° |
| H44 | C60 | C61 | H45 | 0.2° | 0.2° |
